SCHEMBL9038467

SCHEMBL9038467

COc1ccccc1NC(=O)NC1C=C(c2ccccc2)c2ccccc2N(CC(=O)N2CCCC2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.56
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
CCKAR P32238 1/20 0.44
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9040117 0.89 CCKBR (0.51) CCKBRCCKARL3MBTL1MAPTALDH1A1
SCHEMBL9039509 0.87 CCKBR (0.55) CCKBRCCKARALDH1A1
SCHEMBL9040261 0.87 CCKBR (0.50) CCKBRCCKARALDH1A1
SCHEMBL9039519 0.87 CCKBR (0.60) CCKBRCCKAR
SCHEMBL9039128 0.86 CCKBR (0.73) CCKBR
SCHEMBL9040629 0.85 CCKBR (0.57) CCKBRCCKAR
SCHEMBL9048213 0.84 CCKBR (0.51) CCKBRMAPK1TSHRALDH1A1
SCHEMBL9039747 0.84 CCKBR (0.51) CCKBRMAPK1TSHR
SCHEMBL9040702 0.84 CCKBR (0.51) CCKBRMAPK1KMT2AMAPTTSHR
SCHEMBL9043246 0.84 CCKBR (0.57) CCKBRMAPK1LMNAMAPTTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703222-A1 3-AMINOAZEPINE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-03-27 EP disclosed